BMRB Entry 51599
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51599
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Title: hCEACAM1-Ig1-LBP4 Ala and Val methyl chemical shifts PubMed: 36442299
Deposition date: 2022-08-28 Original release date: 2022-09-30
Authors: Williams, Robert; Rogals, Monique; Eletsky, Alexander; Huang, Chin; Morris, Laura; Moremen, Kelley; Prestegard, James
Citation: Williams, Robert; Rogals, Monique; Eletsky, Alexander; Huang, Chin; Morris, Laura; Moremen, Kelley; Prestegard, James. "AssignSLP_GUI, a software tool exploiting AI for NMR resonance assignment of sparsely labeled proteins" J. Mag. Res. 345, 107336-107336 (2022).
Assembly members:
entity_1, polymer, 124 residues, Formula weight is not available
entity_LU, non-polymer, 174.967 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: HEK293 Vector: pGEn2
Entity Sequences (FASTA):
entity_1: GSGGAQLTTESMPFNVAEGK
EVLLLVHNLPQQLFGYSWYK
GERVDGNRQIVGYACADTNN
DGAYEGDELCQATPGPANSG
RETIYPNASLLIQNVTQNDT
GFYTLQVIKSDLVNEEATGQ
FHVY
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 27 |
| 1H chemical shifts | 81 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | hCEACAM1-Ig1-LBP4 | 1 |
| 2 | Lu3+ | 2 |
Entities:
Entity 1, hCEACAM1-Ig1-LBP4 124 residues - Formula weight is not available
| 1 | GLY | SER | GLY | GLY | ALA | GLN | LEU | THR | THR | GLU | ||||
| 2 | SER | MET | PRO | PHE | ASN | VAL | ALA | GLU | GLY | LYS | ||||
| 3 | GLU | VAL | LEU | LEU | LEU | VAL | HIS | ASN | LEU | PRO | ||||
| 4 | GLN | GLN | LEU | PHE | GLY | TYR | SER | TRP | TYR | LYS | ||||
| 5 | GLY | GLU | ARG | VAL | ASP | GLY | ASN | ARG | GLN | ILE | ||||
| 6 | VAL | GLY | TYR | ALA | CYS | ALA | ASP | THR | ASN | ASN | ||||
| 7 | ASP | GLY | ALA | TYR | GLU | GLY | ASP | GLU | LEU | CYS | ||||
| 8 | GLN | ALA | THR | PRO | GLY | PRO | ALA | ASN | SER | GLY | ||||
| 9 | ARG | GLU | THR | ILE | TYR | PRO | ASN | ALA | SER | LEU | ||||
| 10 | LEU | ILE | GLN | ASN | VAL | THR | GLN | ASN | ASP | THR | ||||
| 11 | GLY | PHE | TYR | THR | LEU | GLN | VAL | ILE | LYS | SER | ||||
| 12 | ASP | LEU | VAL | ASN | GLU | GLU | ALA | THR | GLY | GLN | ||||
| 13 | PHE | HIS | VAL | TYR |
Entity 2, Lu3+ - Lu - 174.967 Da.
| 1 | LU |
Samples:
sample_1: hCEACAM1-Ig1-LBP4, [CG1-Val, CG2-Val 90% 13C; CB-Ala 45% 13C], 300 uM; Luticium 300 uM; TRIS 25 mM; NaCl 100 mM; NaN3 0.02%; DSS 10 uM
sample_conditions_1: ionic strength: 125 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 13C-1H HSQC (13C-deteected) | sample_1 | isotropic | sample_conditions_1 |
Software:
ASSIGN_SLP_GUI v2.4.7 - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE NEO 900 MHz